Toward open-shell nuclei with coupled-cluster theory
نویسندگان
چکیده
منابع مشابه
Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. II. Quadruples expansions.
We extend our assessment of the potential of perturbative coupled cluster (CC) expansions for a test set of open-shell atoms and organic radicals to the description of quadruple excitations. Namely, the second- through sixth-order models of the recently proposed CCSDT(Q-n) quadruples series [J. J. Eriksen et al., J. Chem. Phys. 140, 064108 (2014)] are compared to the prominent CCSDT(Q) and ΛCCS...
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The recently developed restricted open-shell, size extensive, left eigenstate, completely renormalized (CR), coupled-cluster (CC) singles (S), doubles (D), and noniterative triples (T) approach, termed CR-CC(2,3) and abbreviated in this paper as ROCCL, is compared with the unrestricted CCSD(T) [UCCSD(T)] and multireference second-order perturbation theory (MRMP2) methods to assess the accuracy ...
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We explore different variants of the random phase approximation to the correlation energy derived from closed-shell ring-diagram approximations to coupled cluster doubles theory. We implement these variants in range-separated density-functional theory, i.e., by combining the long-range random phase approximations with short-range density-functional approximations. We perform tests on the rare-g...
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ژورنال
عنوان ژورنال: Physical Review C
سال: 2011
ISSN: 0556-2813,1089-490X
DOI: 10.1103/physrevc.83.054306